9-(2-Chlorophenyl)-9h-purin-6-amine
Basic information
- CAS
5444-41-7- Standard SMILES
Nc1ncnc2c1ncn2-c1ccccc1Cl- InChIKey
YTUAOUMIGDCTDB-UHFFFAOYSA-N- Molecular formula
- C11H8ClN5
- Average molar mass
- 245.67 g/mol
- Monoisotopic mass
- 245.046823
Names & identifiers
- Preferred name
- 9-(2-Chlorophenyl)-9h-purin-6-amine
- IUPAC
- 9-(2-chlorophenyl)purin-6-amine
Names & synonyms
9-(2-chlorophenyl)-9h-purin-6-amine5444-41-7MLS0026386669-(2-chlorophenyl)purin-6-amineHMS3095M18NSC19105CHEMBL1879784DTXSID10280932NSC-19105SMR001548136DS-006071
Database identifiers
- CAS
5444-41-7- PubChem CID
- 227501
- DTXSID
DTXSID10280932- ChEMBL
CHEMBL1879784
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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